   46
scf done:       -0.013874
 C    -0.411362     1.337994     1.418890
 C    -0.296960    -0.036849     1.725061
 C     0.683014    -0.482332     2.620151
 C     1.549696     0.428773     3.240382
 C     1.391773     1.798183     2.991034
 C     0.408975     2.260018     2.104690
 C     2.650600    -0.057213     4.119655
 O     0.863394     3.154224    -2.157489
 C    -1.204765    -1.062748     1.121521
 C    -1.401255     1.777665     0.356218
 N    -0.765343     2.646565    -0.678159
 C    -2.599003     2.479096     0.961755
 C    -3.554960     3.065889     0.246043
 C     0.344469     2.311461    -1.444773
 C     0.833312     0.889137    -1.396058
 C     0.292057     3.738040     1.909069
 C     1.869937     0.548379    -0.517170
 C     2.342069    -0.774248    -0.501319
 C     1.811687    -1.750701    -1.355768
 C     0.784267    -1.377346    -2.229746
 C     0.289376    -0.060968    -2.262034
 N     0.199737    -2.392280    -3.140583
 O     0.695569    -3.503568    -3.128795
 O    -0.742263    -2.041973    -3.828768
 N     3.408506    -1.155190     0.456618
 O     3.694065    -2.336865     0.529200
 O     3.921600    -0.264519     1.110394
 H     0.768321    -1.543276     2.845842
 H     2.043904     2.511580     3.491896
 H     2.914741     0.660202     4.907621
 H     2.415709    -1.008943     4.613792
 H     3.564790    -0.223311     3.518038
 H    -0.698476    -2.022908     0.953548
 H    -2.050740    -1.266294     1.798083
 H    -1.635785    -0.747748     0.157691
 H    -1.786768     0.859197    -0.191322
 H    -1.052000     3.630559    -0.687642
 H    -2.638130     2.438066     2.053724
 H    -4.417514     3.542392     0.694454
 H    -3.563240     3.116225    -0.835173
 H     0.685245     4.301526     2.768053
 H     0.865493     4.069748     1.029803
 H    -0.746025     4.068463     1.772661
 H     2.304242     1.295158     0.166150
 H     2.192068    -2.786160    -1.337227
 H    -0.513290     0.203860    -2.965460
